1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine

C16H17BrN2 — CID 114047648

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
SMILESCc1nc(N2CCCCc3ccccc32)ccc1Br
InChIInChI=1S/C16H17BrN2/c1-12-14(17)9-10-16(18-12)19-11-5-4-7-13-6-2-3-8-15(13)19/h2-3,6,8-10H,4-5,7,11H2,1H3
InChIKeyPQMJLMCFALSVDW-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.63
Rot. Bonds1

About 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine

1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 114047648) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID114047648
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
SMILESCc1nc(N2CCCCc3ccccc32)ccc1Br
InChIInChI=1S/C16H17BrN2/c1-12-14(17)9-10-16(18-12)19-11-5-4-7-13-6-2-3-8-15(13)19/h2-3,6,8-10H,4-5,7,11H2,1H3
InChIKeyPQMJLMCFALSVDW-UHFFFAOYSA-N
XLogP4.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine with MolForge

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Related Compounds

(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502668
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502673
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502674
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
2-[6-(2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546514
2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80959581
N-(4-bromo-3-methylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962828
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62280507
1-(3-bromo-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 106876518
4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine
CID 112746241

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine (CID 114047648) is 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine is Cc1nc(N2CCCCc3ccccc32)ccc1Br.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is PQMJLMCFALSVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-12-14(17)9-10-16(18-12)19-11-5-4-7-13-6-2-3-8-15(13)19/h2-3,6,8-10H,4-5,7,11H2,1H3.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine?
1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 317.23 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 114047648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).